(5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one

C13H15N3O3 — CID 167136786

IUPAC(5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one
SMILESC[C@H]1OCN(CCc2ccc3[nH]c(=O)[nH]c3c2)C1=O
InChIInChI=1S/C13H15N3O3/c1-8-12(17)16(7-19-8)5-4-9-2-3-10-11(6-9)15-13(18)14-10/h2-3,6,8H,4-5,7H2,1H3,(H2,14,15,18)/t8-/m1/s1
InChIKeyJGGBQFQOCVESHK-MRVPVSSYSA-N
MW261.28 g/mol
LogP0.60
Rot. Bonds3

About (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one

(5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one (PubChem CID 167136786) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one
PubChem CID167136786
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one
SMILESC[C@H]1OCN(CCc2ccc3[nH]c(=O)[nH]c3c2)C1=O
InChIInChI=1S/C13H15N3O3/c1-8-12(17)16(7-19-8)5-4-9-2-3-10-11(6-9)15-13(18)14-10/h2-3,6,8H,4-5,7H2,1H3,(H2,14,15,18)/t8-/m1/s1
InChIKeyJGGBQFQOCVESHK-MRVPVSSYSA-N
XLogP0.60
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one?
The IUPAC name of (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one (CID 167136786) is (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one?
The canonical SMILES for (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one is C[C@H]1OCN(CCc2ccc3[nH]c(=O)[nH]c3c2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one?
The InChIKey is JGGBQFQOCVESHK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-12(17)16(7-19-8)5-4-9-2-3-10-11(6-9)15-13(18)14-10/h2-3,6,8H,4-5,7H2,1H3,(H2,14,15,18)/t8-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one?
(5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one has a molecular weight of 261.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 167136786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).